(E)-3-(5-bromanyl-3-iodanyl-2-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-3-iodanyl-2-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(5-bromo-2-hydroxy-3-iodo-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(5-bromo-2-hydroxy-3-iodophenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(5-bromo-2-hydroxy-3-iodophenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(5-bromo-2-hydroxy-3-iodo-phenyl)acrylonitrile Formula: C16H9BrINO2 MolecularWeight: 454.05663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CC(=CC(=C2O)I)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=CC(=C2O)I)Br)/C#N

InChI

InChI=1S/C16H9BrINO2/c17-13-7-11(16(21)14(18)8-13)6-12(9-19)15(20)10-4-2-1-3-5-10/h1-8,21H/b12-6+